N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide

C25H50N2O4 — CID 623298

IUPACN-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide
SMILESCCCCCCCN(C)C(=O)COCC(C)(C)COCC(=O)N(C)CCCCCCC
InChIInChI=1S/C25H50N2O4/c1-7-9-11-13-15-17-26(5)23(28)19-30-21-25(3,4)22-31-20-24(29)27(6)18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKeyWAPYYUBRXJPGKE-UHFFFAOYSA-N
MW442.69 g/mol
LogP4.90
Rot. Bonds20

About N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide

N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide (PubChem CID 623298) has the molecular formula C25H50N2O4 and a molecular weight of 442.69 g/mol. Its IUPAC name is N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide
PubChem CID623298
Molecular FormulaC25H50N2O4
Molecular Weight442.69 g/mol
Exact Mass442.38
IUPAC NameN-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide
SMILESCCCCCCCN(C)C(=O)COCC(C)(C)COCC(=O)N(C)CCCCCCC
InChIInChI=1S/C25H50N2O4/c1-7-9-11-13-15-17-26(5)23(28)19-30-21-25(3,4)22-31-20-24(29)27(6)18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKeyWAPYYUBRXJPGKE-UHFFFAOYSA-N
XLogP4.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.69
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide?
The IUPAC name of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide (CID 623298) is N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide.
What is the SMILES notation for N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide?
The canonical SMILES for N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide is CCCCCCCN(C)C(=O)COCC(C)(C)COCC(=O)N(C)CCCCCCC.
What is the InChIKey of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide?
The InChIKey is WAPYYUBRXJPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O4/c1-7-9-11-13-15-17-26(5)23(28)19-30-21-25(3,4)22-31-20-24(29)27(6)18-16-14-12-10-8-2/h7-22H2,1-6H3.
What are the key properties of N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide?
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide has a molecular weight of 442.69 g/mol, XLogP of 4.90, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]-2,2-dimethylpropoxy]-N-methylacetamide is sourced from PubChem (CID 623298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).